SCHEMBL5239608

SCHEMBL5239608

C/C=C/Cn1c(C)c(CO)c2cnnc(OCc3ccc(F)cc3F)c21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPK14 Q16539 12/20 0.35
PTGER1 P34995 3/20 0.34
HTR6 P50406 1/20 0.33
ALKBH1 Q13686 1/20 0.33
MAPK11 Q15759 3/20 0.33
MAOB P27338 1/20 0.33
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA3 P34903 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5239615 1.00 CYP1A2 (0.39) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7473326 0.89 CYP1A2 (0.49) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7473324 0.89 CYP1A2 (0.49) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5239175 0.87 CYP1A2 (0.52) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5239173 0.87 CYP1A2 (0.52) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5234831 0.82 CYP1A2 (0.61) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7481450 0.80 CYP2C9 (0.44) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7481454 0.80 CYP2C9 (0.44) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7472573 0.78 CYP1A2 (0.52) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7472565 0.78 CYP1A2 (0.52) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254907-B1 PYRROLOPYRIDAZINE COMPOUND SANKYO CO (JP) 2007-05-09 EP claimed
US-6734181-B2 GASTRIC ACID SECRETORY INHIBITION ACTIVITY, GASTRIC MUCOUS MEMBRANE PROTECTION ACTIVITY; TREATMENT OF ULCERS AND HELICOBACTER PYLORI INFECIONS SANKYO COMPANY, LIMITED (JP) 2004-05-11 US claimed
US-20040014762-A1 Pyrrolopyridazine compounds SANKYO COMPANY, LIMITED (JP) 2004-01-22 US claimed
EP-1254907-A1 PYRROLOPYRIDAZINE COMPOUND Sankyo Company, Limited (JP) 2002-11-06 EP claimed
EP-1254907-B1 PYRROLOPYRIDAZINE COMPOUND SANKYO CO (JP) 2007-05-09 EP disclosed
EP-1254907-A1 PYRROLOPYRIDAZINE COMPOUND Sankyo Company, Limited (JP) 2002-11-06 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040014762-A1 Pyrrolopyridazine compounds HRH2, ADH1C, GIPR CYP1A2 1171/4885CYP3A4 1480/4885CYP2D6 234/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.